1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione

C11H10ClNO3S — CID 62023826

IUPAC1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C11H10ClNO3S/c1-6-4-10(15)13(11(6)16)5-7(14)8-2-3-9(12)17-8/h2-3,6H,4-5H2,1H3
InChIKeyQZEKMOJACLQTMF-UHFFFAOYSA-N
MW271.72 g/mol
LogP1.98
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione

1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62023826) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62023826
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C11H10ClNO3S/c1-6-4-10(15)13(11(6)16)5-7(14)8-2-3-9(12)17-8/h2-3,6H,4-5H2,1H3
InChIKeyQZEKMOJACLQTMF-UHFFFAOYSA-N
XLogP1.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(5-Chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 2416925
(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
3-[2-(5-Chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 3689296
3-[2-(5-Chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 4028749
1-(5-Chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethan-1-one
CID 5095120
1-(5-Chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 114271932
1-(5-Chlorothiophen-2-yl)-2-pyrrolidin-1-ylethanone
CID 2429529
2-[2-(5-Chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9208728
2-[2-(5-Chlorothiophen-2-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 16249551
1-[2-(5-Chlorothiophen-2-yl)-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 17431428
(1S)-1-[4-(5-chlorothiophen-2-yl)-2-methyl-4-oxobutanoyl]-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 57061666
(2R)-1-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 57194841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (CID 62023826) is 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is QZEKMOJACLQTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-6-4-10(15)13(11(6)16)5-7(14)8-2-3-9(12)17-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 271.72 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62023826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).